REMARK Name = BDB009342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.193 -0.859 0.872 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.382 -1.647 2.002 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.683 -2.778 2.178 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.300 -1.268 2.975 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.054 -0.104 2.803 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.905 0.681 1.647 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.958 0.298 0.684 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.663 0.574 1.204 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 5.046 0.366 0.166 0.00 0.00 +0.403 C ATOM 10 N LIG 1 3.848 -0.317 0.111 0.00 0.00 -0.264 N ATOM 11 C LIG 1 3.245 -0.837 1.335 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.714 -0.732 1.309 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.109 -1.259 0.075 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.257 -1.265 -0.188 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.743 -1.540 -1.282 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.036 -1.636 -0.996 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.170 -0.616 -1.153 0.00 0.00 +0.130 C BRANCH 9 18 ATOM 18 O LIG 1 5.449 0.784 -1.062 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 6.708 1.463 -1.111 0.00 0.00 +0.269 C BRANCH 19 20 ATOM 20 C LIG 1 7.781 0.495 -1.540 0.00 0.00 -0.010 A ATOM 21 C LIG 1 8.559 -0.170 -0.582 0.00 0.00 +0.007 A ATOM 22 C LIG 1 9.539 -1.082 -0.976 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.745 -1.343 -2.329 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.969 -0.698 -3.289 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.987 0.214 -2.897 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.733 1.929 1.448 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -5.235 1.684 1.560 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -5.964 1.004 0.443 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -5.251 0.598 -0.817 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -6.202 0.241 -1.964 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.351 -0.630 -1.472 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -8.149 0.082 -0.379 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -7.278 0.783 0.626 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -7.943 1.235 1.874 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -9.142 1.066 2.067 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.137 1.854 2.791 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.574 2.171 3.650 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.803 2.079 2.662 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6